Basic information
- Standard SMILES
CCOC(=O)CSCCc1ccccc1- InChIKey
NEKOFQWBPATOLQ-UHFFFAOYSA-N- Molecular formula
- C12H16O2S
- Average molar mass
- 224.32 g/mol
- Monoisotopic mass
- 224.08710092
Names & identifiers
- Preferred name
- Ethyl (phenethylthio)acetate
- IUPAC
- ethyl 2-(2-phenylethylsulfanyl)acetate
Names & synonyms
NSC194843ethyl (phenethylthio)acetateNEKOFQWBPATOLQ-UHFFFAOYSA-NAKOS017152947ethyl [(2-phenylethyl)sulfanyl]acetateNSC-194843
Database identifiers
- PubChem CID
- 304016
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Related reactions
8 records
Compound notes
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